# generated using pymatgen data_Hf5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86785619 _cell_length_b 7.86785619 _cell_length_c 16.90376892 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Ir3 _chemical_formula_sum 'Hf30 Ir18' _cell_volume 906.20611310 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.76256376 0.77221538 0.65889648 1.0 Hf Hf1 1 0.00965362 0.23743624 0.32556348 1.0 Hf Hf2 1 0.23743624 0.22778462 0.15889648 1.0 Hf Hf3 1 0.99034638 0.22778462 0.00777052 1.0 Hf Hf4 1 0.22778462 0.99034638 0.99222948 1.0 Hf Hf5 1 0.99034638 0.76256376 0.82556348 1.0 Hf Hf6 1 0.77221538 0.76256376 0.34110352 1.0 Hf Hf7 1 0.00965362 0.77221538 0.50777052 1.0 Hf Hf8 1 0.77221538 0.00965362 0.49222948 1.0 Hf Hf9 1 0.22778462 0.23743624 0.84110352 1.0 Hf Hf10 1 0.23743624 0.00965362 0.67443652 1.0 Hf Hf11 1 0.76256376 0.99034638 0.17443652 1.0 Hf Hf12 1 0.34420126 0.65579874 0.75000000 1.0 Hf Hf13 1 0.31159848 0.65579874 0.41666700 1.0 Hf Hf14 1 0.65579874 0.34420126 0.25000000 1.0 Hf Hf15 1 0.68840152 0.34420126 0.91666700 1.0 Hf Hf16 1 0.34420126 0.68840152 0.08333300 1.0 Hf Hf17 1 0.65579874 0.31159848 0.58333300 1.0 Hf Hf18 1 0.62150774 0.37849226 0.75000000 1.0 Hf Hf19 1 0.75698353 0.37849226 0.41666700 1.0 Hf Hf20 1 0.37849226 0.62150774 0.25000000 1.0 Hf Hf21 1 0.24301647 0.62150774 0.91666700 1.0 Hf Hf22 1 0.62150774 0.24301647 0.08333300 1.0 Hf Hf23 1 0.37849226 0.75698353 0.58333300 1.0 Hf Hf24 1 0.75063662 0.75063662 0.00000000 1.0 Hf Hf25 1 0.00000000 0.24936338 0.66666700 1.0 Hf Hf26 1 0.24936338 0.24936338 0.50000000 1.0 Hf Hf27 1 0.24936338 0.00000000 0.33333300 1.0 Hf Hf28 1 -0.00000000 0.75063662 0.16666700 1.0 Hf Hf29 1 0.75063662 -0.00000000 0.83333300 1.0 Ir Ir30 1 0.58214596 0.60824340 0.85708472 1.0 Ir Ir31 1 0.02609843 0.41785404 0.52375172 1.0 Ir Ir32 1 0.41785404 0.39175660 0.35708472 1.0 Ir Ir33 1 0.97390157 0.39175660 0.80958228 1.0 Ir Ir34 1 0.39175660 0.97390157 0.19041772 1.0 Ir Ir35 1 0.97390157 0.58214596 0.02375172 1.0 Ir Ir36 1 0.60824340 0.58214596 0.14291528 1.0 Ir Ir37 1 0.02609843 0.60824340 0.30958228 1.0 Ir Ir38 1 0.60824340 0.02609843 0.69041772 1.0 Ir Ir39 1 0.39175660 0.41785404 0.64291528 1.0 Ir Ir40 1 0.41785404 0.02609843 0.47624828 1.0 Ir Ir41 1 0.58214596 0.97390157 0.97624828 1.0 Ir Ir42 1 0.37951623 0.37951623 0.00000000 1.0 Ir Ir43 1 -0.00000000 0.62048377 0.66666700 1.0 Ir Ir44 1 0.62048377 0.62048377 0.50000000 1.0 Ir Ir45 1 0.62048377 -0.00000000 0.33333300 1.0 Ir Ir46 1 0.00000000 0.37951623 0.16666700 1.0 Ir Ir47 1 0.37951623 0.00000000 0.83333300 1.0